Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 15/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27575103 | 0.70 | TYMS (0.40) | TYMSDHFRDDAH1NOS1 | |
| Hydrochloric Acid SCHEMBL27809309 | 0.67 | TYMS (0.45) | TYMSDHFRDDAH1NOS1PDE3B | |
| Nolatrexed SCHEMBL710461 | 0.62 | TYMS (1.00) | TYMSDHFR | |
| Nolatrexed SCHEMBL18489 | 0.62 | TYMS (0.66) | TYMSDHFR | |
| Nolatrexed SCHEMBL316632 | 0.62 | TYMS (0.97) | TYMSDHFR | |
| Nolatrexed SCHEMBL29420099 | 0.62 | TYMS (0.97) | TYMSDHFR | |
| SCHEMBL16807869 | 0.62 | TYMS (0.61) | TYMSDHFR | |
| Nolatrexed SCHEMBL27935384 | 0.62 | TYMS (0.97) | TYMSDHFR | |
| SCHEMBL20434229 | 0.59 | UCHL1 (0.39) | TYMS | |
| Hydrochloric Acid SCHEMBL4539745 | 0.59 | TYMS (0.52) | TYMSDHFR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646445-A | 2-amino quinazolinone compound synthesis process | 吕艳 | 2016-06-08 | — | — | CN | disclosed |